2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-

• Formula: C₁₄H₁₇NO₂
• Molecular weight: 231.2903
• IUPAC Standard InChI: InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: AFYCEAFSNDLKSX-UHFFFAOYSA-N Copy
• CAS Registry Number: 91-44-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Coumarin, 7-(diethylamino)-4-methyl-; Coumarin 1; 4-Methyl-7-(diethylamino)coumarin; 7-(Diethylamino)-4-methylcoumarin; 7-(Diethylamino)-4-methyl-2H-1-benzopyran-2-one; 7D4MC; Aclarat 8678; Blancophor AW; Blancophor FFG; C 47; Calcofluor White RW; Calcofluor White SD; Coumarin 460; Coumarin 47; Hakkol P; MDAC; NSC 61830; Uvitex WGS; 7-(diethylamino)-4-methyl-2-benzopyrone
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of fusion

Entropy of fusion

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [all data]

Zhang, Huang, et al., 1989
Zhang, X.; Huang, W.; Tan, F.; Xu, G.; Wu, Z., Study on phase transition thermodynamics of 4-methyl-coumarin derivative, Chin. Sci. Bull., 1989, 34(21), 1844-1845. [all data]

Redchenko, Safronov, et al., 1992
Redchenko, V.V.; Safronov, A.I.; Kirpichenok, M.A.; Grandberg, I.I.; Traven', V.F., Electronic structure of π-systems. XV. Photoelectron spectra of 7-aminocoumarin derivatives, J. Gen. Chem. USSR, 1992, 62, 2313. [all data]

Notes

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• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion

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